cascaroside A

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InChI :InChI=1/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16+,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
Std.InChI: InChI=1S/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16+,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
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InChIKey :MNAYRSRTNMVAPR-ZHVWOXMGBW
Std.InChIKey: MNAYRSRTNMVAPR-ZHVWOXMGSA-N
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SMILES :O=C4c1c(cc(cc1O)CO)[C@H](c3cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c34)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO
Molar Refractivity :136.28 ± 0.3 cm3 (est)
Parachor :1095.0 ± 6.0 cm3 (est)
Index of Refraction :1.726 ± 0.02 (est)
Surface Tension :104.3 ± 3.0 dyne/cm (est)
Density :1.694 ± 0.06 g/cm3 (est)
Polarizability :54.02 ± 0.5 10-24cm3 (est)